SCHEMBL25743378

SCHEMBL25743378

CC(C)(C)NCC1CN(CC#N)CCO1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.34
▸ DRD4 P21917 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25743432 1.00 CACNA1H (0.34) CACNA1HDRD4
SCHEMBL8498907 0.83 DRD4 (0.34) DRD4
SCHEMBL12395723 0.81 HRH3 (0.39) CACNA1HDRD4
SCHEMBL24952005 0.78 DRD4 (0.33) DRD4
SCHEMBL24775533 0.78 CACNA1H (0.39) CACNA1HDRD4
SCHEMBL24775467 0.77 CACNA1H (0.34) CACNA1HDRD4
SCHEMBL24774773 0.75 CACNA1H (0.40) CACNA1HDRD4
SCHEMBL25743769 0.75 — —
SCHEMBL25743385 0.75 CACNA1H (0.34) CACNA1HDRD4
SCHEMBL12257331 0.74 HDAC1 (0.39) CACNA1H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 CACNA1H 2903/4885DRD4 4343/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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